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Information card for entry 2213098
Preview
Coordinates | 2213098.cif |
---|---|
Structure factors | 2213098.hkl |
Original IUCr paper | HTML |
Chemical name | (N-tert-Butylimido)chlorido[dimethyl(1H-pyrrol-2-ylmethyl)amine- κ^2^N,N']bis(pyridine-κN)titanium(IV) toluene solvate |
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Formula | C28 H38 Cl N5 Ti |
Calculated formula | C28 H38 Cl N5 Ti |
SMILES | [Ti]1(Cl)(n2cccc2C[N]1(C)C)(=NC(C)(C)C)([n]1ccccc1)[n]1ccccc1.c1(ccccc1)C |
Title of publication | (<i>N</i>-<i>tert</i>-Butylimido)chlorido[dimethyl(1<i>H</i>-pyrrol-2-ylmethyl)amine-κ^2^<i>N</i>,<i>N</i>']bis(pyridine-κ<i>N</i>)titanium(IV) toluene solvate |
Authors of publication | Gong, Dao-Jun; Wei, Hua; Li, Ya-Hong |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 5 |
Pages of publication | m1414 - m1414 |
a | 10.5646 ± 0.0014 Å |
b | 15.605 ± 0.002 Å |
c | 17.432 ± 0.002 Å |
α | 90° |
β | 95.507 ± 0.004° |
γ | 90° |
Cell volume | 2860.6 ± 0.6 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1032 |
Residual factor for significantly intense reflections | 0.0726 |
Weighted residual factors for significantly intense reflections | 0.1265 |
Weighted residual factors for all reflections included in the refinement | 0.138 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2213098.html
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